Geometry & MOs

Info

ID:	137802
PubChem CID:	52264652
Reduced:	FO2N5H14C16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	418.125275
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	5.66
IP(EA), eV:	-8.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(2-methoxypyridin-3-yl)-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=C(N=CC=C3)OC

DOS

IR

Vibrations